⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12598602 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL12559772 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL12597886 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL12559771 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL12559871 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL5013805 | 0.69 | DRD2 (0.56) | — | |
| SCHEMBL5015866 | 0.69 | DRD2 (0.56) | — | |
| SCHEMBL5013804 | 0.69 | DRD2 (0.56) | — | |
| SCHEMBL4417884 | 0.69 | ADRA1A (0.50) | — | |
| SCHEMBL13213529 | 0.66 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131654-A2 | INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES | NORTH CAROLINA STATE UNIVERSITY (US) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009070304-A1 | INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES | NORTH CAROLINA STATE UNIVERSITY (US) | 2009-06-04 | — | — | WO | disclosed |